@<TRIPOS>MOLECULE
BindingDB_50181140
 47 49 0 0 0
SMALL
NO_CHARGES


@<TRIPOS>ATOM
1    C        22.9880   15.2793  105.4825  C     
2    C        21.7608   15.9131  105.2429  C     
3    C        20.6569   15.6353  106.0717  C     
4    C        20.7422   14.7414  107.1799  C     
5    C        22.0117   14.1306  107.4074  C     
6    C        23.1111   14.3947  106.5628  C     
7    C        19.6134   14.5444  108.0263  C     
8    C        18.5147   15.4765  108.1331  C     
9    N        17.6271   14.9516  109.1272  N     
10   C        18.1216   13.6633  109.5655  C     
11   C        19.3640   13.5179  108.8476  C     
12   C        18.3016   13.5338  111.0491  C     
13   C        19.2372   14.3242  111.7614  C     
14   C        19.3818   14.1852  113.1570  C     
15   C        18.5788   13.2754  113.8620  C     
16   C        17.6066   12.5159  113.1816  C     
17   C        17.4822   12.6404  111.7813  C     
18   C        16.4373   15.4816  109.5185  C     
19   C        15.7809   16.7990  109.2457  C     
20   O        15.7623   14.7521  110.2396  O     
21   F        22.2527   13.3529  108.4302  F     
22   F        21.6541   16.7713  104.2648  F     
23   O        16.7973   11.6863  113.8867  O     
24   C        16.5059   17.7875  108.2624  C     
25   C        14.3401   16.5554  108.6677  C     
26   C        15.6469   17.5788  110.6020  C     
27   H        23.7921   15.4725  104.8834  H     
28   H        19.7810   16.1117  105.8409  H     
29   H        24.0164   13.9587  106.7408  H     
30   H        18.9035   16.4579  108.4088  H     
31   H        17.9883   15.5230  107.1762  H     
32   H        17.4424   12.8903  109.1829  H     
33   H        19.9120   12.6929  108.9157  H     
34   H        19.8280   14.9994  111.2691  H     
35   H        20.0723   14.7516  113.6594  H     
36   H        18.6835   13.1793  114.8754  H     
37   H        16.7696   12.0863  111.3013  H     
38   H        15.9878   11.5484  113.3417  H     
39   H        17.5163   18.0154  108.6222  H     
40   H        15.9391   18.7322  108.1703  H     
41   H        16.5633   17.3588  107.2551  H     
42   H        14.3904   15.9529  107.7603  H     
43   H        13.8489   17.5001  108.4231  H     
44   H        13.7038   16.0359  109.3877  H     
45   H        15.0876   17.0066  111.3468  H     
46   H        15.1157   18.5254  110.4600  H     
47   H        16.6336   17.7990  111.0222  H     
@<TRIPOS>BOND
     1    1    2 2
     2    1    6 1
     3    2    3 1
     4    2   22 1
     5    3    4 2
     6    4    5 1
     7    4    7 1
     8    5    6 2
     9    5   21 1
    10    7    8 1
    11    7   11 2
    12    8    9 1
    13    9   10 1
    14    9   18 am
    15   10   11 1
    16   10   12 1
    17   12   13 2
    18   12   17 1
    19   13   14 1
    20   14   15 2
    21   15   16 1
    22   16   17 2
    23   16   23 1
    24   18   19 1
    25   18   20 2
    26   19   24 1
    27   19   25 1
    28   19   26 1
    29    1   27 1
    30    3   28 1
    31    6   29 1
    32    8   30 1
    33    8   31 1
    34   10   32 1
    35   11   33 1
    36   13   34 1
    37   14   35 1
    38   15   36 1
    39   17   37 1
    40   23   38 1
    41   24   39 1
    42   24   40 1
    43   24   41 1
    44   25   42 1
    45   25   43 1
    46   25   44 1
    47   26   45 1
    48   26   46 1
    49   26   47 1
@<TRIPOS>PROPERTY_DATA
  Total_Score	| 7.5907
  Crash		| -0.9476
  Polar		| 0.8686
  FragIndex	| 1
  FragRMSD	| 0.269